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Binding sites as dynamic hubs of coevolution encoded information flow.
Proceedings of the National Academy of Sciences · · Journal Article
Demirtaş, Erman + 1 more
Abstract ↗AI summary
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Across 29 protein cases, binding sites emerge as dynamic hubs of collective information transfer, with mode-dependent, directional information flows between sites revealed by Sequence-based GNM-TE.
- Why it matters: Structural work explains allosteric mechanisms, but it remains unclear how evolutionary sequence constraints encode the dynamic networks that underlie allostery.
- What they did: The authors developed Sequence-based GNM-TE, combining coevolutionary signals with Gaussian Network Model transfer entropy to map information flow across allosteric networks.
- The result: Evolutionary constraints are linked to the architecture of allosteric regulation in protein sequences, preserving binding-site communication within layered dynamic ensembles that support robust control and adaptation.
The findingWhy it mattersWhat they didThe result
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